SCHEMBL4771703

SCHEMBL4771703

O=S(=O)(c1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.58
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
HTR2C P28335 2/20 0.52
HTR2B P41595 2/20 0.52
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.50
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
TSHR P16473 1/20 0.47
PKM P14618 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22325098 0.81 LMNA (0.74) USP2MEN1KMT2ATDP1LMNA
SCHEMBL4775666 0.81 MEN1 (0.56) USP2MEN1KMT2ATDP1LMNA
SCHEMBL4775689 0.80 USP2 (0.56) USP2MEN1KMT2ATDP1LMNA
Aziridine SCHEMBL22778235 0.76 KMT2A (0.76) USP2MEN1KMT2ATDP1LMNA
SCHEMBL18318428 0.75 NAMPT (0.42) LMNAHTR2CTSHR
SCHEMBL12017803 0.75 HTR6 (0.46) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL5212828 0.75 CYP11B1 (0.49) LMNAHTR2CHTR2BTSHR
SCHEMBL5212189 0.75 MAPK1 (0.41) LMNAHTTTSHR
SCHEMBL2798239 0.75 MAPT (0.50) LMNAHTR2CMAPTALDH1A1TSHR
SCHEMBL1865965 0.75 HTR6 (0.44) USP2TDP1LMNAALDH1A1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348324-B2 Cyclic amine compounds as CCR5 antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-03-25 US disclosed
EP-1886994-A1 Cyclic amine compounds as CCR5 antagonists Takeda Pharmaceutical Company Limited (JP) 2008-02-13 EP disclosed
US-20030114443-A1 Cyclic amine compounds as CCR5 antagonists TOBIRA THERAPEUTICS, INC. 2003-06-19 US disclosed
US-6562978-B1 N-(3-(4-(4-(Aminocarbonyl)benzyl)-1-piperidinyl)propyl)-N-(3, 4-dichlorophenyl)-1-(methylsulfonyl)-4-piperidinecarboxamide or a salt thereof for treatment of AIDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-05-13 US disclosed
EP-1220842-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2002-07-10 EP disclosed
WO-2001025200-A1 CYCLIC AMINE COMPOUNDS AS CCR5 ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-04-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030114443-A1 Cyclic amine compounds as CCR5 antagonists CCR5, CCR1, CCR3 USP2 4847/4885MEN1 2216/4885KMT2A 2421/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.